SCHEMBL8326166

SCHEMBL8326166

CCOC(=O)c1[nH]c2c(C)ccc(C)c2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 4/20 0.53
CYP1A2 P05177 1/20 0.53
XBP1 P17861 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RPA1 P27694 1/20 0.47
MCL1 Q07820 1/20 0.47
KMT2A Q03164 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8319411 0.86 LMNA (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL21480114 0.77 CYP1A2 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL1126706 0.76 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL11300000 0.75 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7528152 0.75 MAP2 (0.64) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7530831 0.75 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL20568922 0.75 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL20568240 0.75 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL8740907 0.75 RAB9A (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL1127132 0.75 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2XBP1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed